(2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide

C118H145F3N16O13S4 — CID 159994522

IUPAC(2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(C(F)(F)F)nc3ccccc23)cs1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(C(C)=O)c3ccccc23)cs1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C2=NCc3ccccc32)cs1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(C(C)(C)O)nc3ccccc23)cs1)C1CCOCC1
InChIInChI=1S/C31H37N3O4S.C30H39N5O4S.C29H33F3N4O3S.C28H36N4O2S/c1-4-19(2)29(36)33-28(21-13-16-38-17-14-21)31(37)34-15-7-10-27(34)30-32-26(18-39-30)25-12-11-22(20(3)35)23-8-5-6-9-24(23)25;1-18(31-4)27(36)34-26(19-11-14-39-15-12-19)29(37)35-13-7-10-24(35)28-33-23(17-40-28)21-16-25(30(2,3)38)32-22-9-6-5-8-20(21)22;1-3-17(2)26(37)35-25(18-10-13-39-14-11-18)28(38)36-12-6-9-23(36)27-34-22(16-40-27)20-15-24(29(30,31)32)33-21-8-5-4-7-19(20)21;1-3-18(2)26(33)31-24(19-10-5-4-6-11-19)28(34)32-15-9-14-23(32)27-30-22(17-35-27)25-21-13-8-7-12-20(21)16-29-25/h5-6,8-9,11-12,18-19,21,27-28H,4,7,10,13-17H2,1-3H3,(H,33,36);5-6,8-9,16-19,24,26,31,38H,7,10-15H2,1-4H3,(H,34,36);4-5,7-8,15-18,23,25H,3,6,9-14H2,1-2H3,(H,35,37);7-8,12-13,17-19,23-24H,3-6,9-11,14-16H2,1-2H3,(H,31,33)/t19-,27+,28+;18-,24-,26-;17-,23+,25+;18-,23+,24+/m1011/s1
InChIKeyOHJIMPZKAJJNBU-NMOGZAGHSA-N
MW2180.82 g/mol
LogP20.82
Rot. Bonds30

About (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide

(2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide (PubChem CID 159994522) has the molecular formula C118H145F3N16O13S4 and a molecular weight of 2180.82 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide
PubChem CID159994522
Molecular FormulaC118H145F3N16O13S4
Molecular Weight2180.82 g/mol
Exact Mass2179.00
IUPAC Name(2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(C(F)(F)F)nc3ccccc23)cs1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(C(C)=O)c3ccccc23)cs1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C2=NCc3ccccc32)cs1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(C(C)(C)O)nc3ccccc23)cs1)C1CCOCC1
InChIInChI=1S/C31H37N3O4S.C30H39N5O4S.C29H33F3N4O3S.C28H36N4O2S/c1-4-19(2)29(36)33-28(21-13-16-38-17-14-21)31(37)34-15-7-10-27(34)30-32-26(18-39-30)25-12-11-22(20(3)35)23-8-5-6-9-24(23)25;1-18(31-4)27(36)34-26(19-11-14-39-15-12-19)29(37)35-13-7-10-24(35)28-33-23(17-40-28)21-16-25(30(2,3)38)32-22-9-6-5-8-20(21)22;1-3-17(2)26(37)35-25(18-10-13-39-14-11-18)28(38)36-12-6-9-23(36)27-34-22(16-40-27)20-15-24(29(30,31)32)33-21-8-5-4-7-19(20)21;1-3-18(2)26(33)31-24(19-10-5-4-6-11-19)28(34)32-15-9-14-23(32)27-30-22(17-35-27)25-21-13-8-7-12-20(21)16-29-25/h5-6,8-9,11-12,18-19,21,27-28H,4,7,10,13-17H2,1-3H3,(H,33,36);5-6,8-9,16-19,24,26,31,38H,7,10-15H2,1-4H3,(H,34,36);4-5,7-8,15-18,23,25H,3,6,9-14H2,1-2H3,(H,35,37);7-8,12-13,17-19,23-24H,3-6,9-11,14-16H2,1-2H3,(H,31,33)/t19-,27+,28+;18-,24-,26-;17-,23+,25+;18-,23+,24+/m1011/s1
InChIKeyOHJIMPZKAJJNBU-NMOGZAGHSA-N
XLogP20.82
TPSA364.36 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002180.82
LogP ≤ 520.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide?
The IUPAC name of (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide (CID 159994522) is (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide.
What is the SMILES notation for (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide?
The canonical SMILES for (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide is CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(C(F)(F)F)nc3ccccc23)cs1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(C(C)=O)c3ccccc23)cs1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C2=NCc3ccccc32)cs1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(C(C)(C)O)nc3ccccc23)cs1)C1CCOCC1.
What is the InChIKey of (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide?
The InChIKey is OHJIMPZKAJJNBU-NMOGZAGHSA-N. The full InChI is InChI=1S/C31H37N3O4S.C30H39N5O4S.C29H33F3N4O3S.C28H36N4O2S/c1-4-19(2)29(36)33-28(21-13-16-38-17-14-21)31(37)34-15-7-10-27(34)30-32-26(18-39-30)25-12-11-22(20(3)35)23-8-5-6-9-24(23)25;1-18(31-4)27(36)34-26(19-11-14-39-15-12-19)29(37)35-13-7-10-24(35)28-33-23(17-40-28)21-16-25(30(2,3)38)32-22-9-6-5-8-20(21)22;1-3-17(2)26(37)35-25(18-10-13-39-14-11-18)28(38)36-12-6-9-23(36)27-34-22(16-40-27)20-15-24(29(30,31)32)33-21-8-5-4-7-19(20)21;1-3-18(2)26(33)31-24(19-10-5-4-6-11-19)28(34)32-15-9-14-23(32)27-30-22(17-35-27)25-21-13-8-7-12-20(21)16-29-25/h5-6,8-9,11-12,18-19,21,27-28H,4,7,10,13-17H2,1-3H3,(H,33,36);5-6,8-9,16-19,24,26,31,38H,7,10-15H2,1-4H3,(H,34,36);4-5,7-8,15-18,23,25H,3,6,9-14H2,1-2H3,(H,35,37);7-8,12-13,17-19,23-24H,3-6,9-11,14-16H2,1-2H3,(H,31,33)/t19-,27+,28+;18-,24-,26-;17-,23+,25+;18-,23+,24+/m1011/s1.
What are the key properties of (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide?
(2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide has a molecular weight of 2180.82 g/mol, XLogP of 20.82, 30 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide is sourced from PubChem (CID 159994522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).